2-hydroxyethyl 4-amino-2-chlorobenzoate

C9H10ClNO3 — CID 61322216

IUPAC2-hydroxyethyl 4-amino-2-chlorobenzoate
SMILESNc1ccc(C(=O)OCCO)c(Cl)c1
InChIInChI=1S/C9H10ClNO3/c10-8-5-6(11)1-2-7(8)9(13)14-4-3-12/h1-2,5,12H,3-4,11H2
InChIKeyGJSGNWCCUMGRCG-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.07
Rot. Bonds3

About 2-hydroxyethyl 4-amino-2-chlorobenzoate

2-hydroxyethyl 4-amino-2-chlorobenzoate (PubChem CID 61322216) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-hydroxyethyl 4-amino-2-chlorobenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 4-amino-2-chlorobenzoate
PubChem CID61322216
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-hydroxyethyl 4-amino-2-chlorobenzoate
SMILESNc1ccc(C(=O)OCCO)c(Cl)c1
InChIInChI=1S/C9H10ClNO3/c10-8-5-6(11)1-2-7(8)9(13)14-4-3-12/h1-2,5,12H,3-4,11H2
InChIKeyGJSGNWCCUMGRCG-UHFFFAOYSA-N
XLogP1.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluorobutyl 4-amino-2-chlorobenzoate
CID 115517880
3-ethoxypropyl 4-amino-2-chlorobenzoate
CID 65180615
[4-(hydroxymethyl)phenyl]methyl 4-amino-2-chlorobenzoate
CID 115970023
2-(propan-2-ylamino)ethyl 4-amino-2-chlorobenzoate
CID 24835033
cyanomethyl 4-amino-2-chlorobenzoate
CID 61237944
2,2-difluoroethyl 4-amino-2-chlorobenzoate
CID 61322786
2-(3-methoxypropoxy)ethyl 4-amino-2-chlorobenzoate
CID 103178455
2-(butylamino)ethyl 4-amino-2-chlorobenzoate;hydrochloride
CID 3027371
2-(cyclohexylamino)ethyl 4-amino-2-chlorobenzoate;hydrochloride
CID 3027375
(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61236840
(2,6-dimethylphenyl)methyl 4-amino-2-chlorobenzoate
CID 78998446
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-amino-2-chlorobenzoate?
The IUPAC name of 2-hydroxyethyl 4-amino-2-chlorobenzoate (CID 61322216) is 2-hydroxyethyl 4-amino-2-chlorobenzoate.
What is the SMILES notation for 2-hydroxyethyl 4-amino-2-chlorobenzoate?
The canonical SMILES for 2-hydroxyethyl 4-amino-2-chlorobenzoate is Nc1ccc(C(=O)OCCO)c(Cl)c1.
What is the InChIKey of 2-hydroxyethyl 4-amino-2-chlorobenzoate?
The InChIKey is GJSGNWCCUMGRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-8-5-6(11)1-2-7(8)9(13)14-4-3-12/h1-2,5,12H,3-4,11H2.
What are the key properties of 2-hydroxyethyl 4-amino-2-chlorobenzoate?
2-hydroxyethyl 4-amino-2-chlorobenzoate has a molecular weight of 215.64 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-amino-2-chlorobenzoate is sourced from PubChem (CID 61322216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).